Summary

IMPPAT Phytochemical identifier: IMPHY015375

Phytochemical name: 4-Hydroxyhexan-3-one

Synonymous chemical names:
4-hydroxyhexan-3-one

External chemical identifiers:
CID:95609, ChEBI:18351, SureChEMBL:SCHEMBL108041, MolPort-001-790-092

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Chemical structure information

SMILES:
CCC(=O)C(CC)O

InChI:
InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3

InChIKey:
SKCYVGUCBRYGTE-UHFFFAOYSA-N

DeepSMILES:
CCC=O)CCC))O

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.054

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Chemical structure download